USER MOD reduce.3.24.130724 H: found=0, std=0, add=289, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 289 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -143:sc= 0.601 (180deg=0.0472) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -51:sc= -0.0956 USER MOD Single : A 17 ASN : amide:sc= -11.6! C(o=-12!,f=-25!) USER MOD Single : A 20 LYS NZ :NH3+ 152:sc= -0.659! (180deg=-1.99!) USER MOD Single : A 22 LYS NZ :NH3+ -173:sc= -4.38! (180deg=-4.66!) USER MOD Single : A 25 ASN : amide:sc= -1.37 X(o=-1.4,f=-1.2) USER MOD Single : A 30 LYS NZ :NH3+ -133:sc= 0.17 (180deg=-0.296) USER MOD Single : A 31 SER OG : rot 180:sc= 0.00488 USER MOD Single : A 36 SER OG : rot -3:sc= 0.898 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -5.169 -11.506 -3.237 1.00 0.00 N ATOM 2 CA GLU A 1 -3.920 -10.751 -3.516 1.00 0.00 C ATOM 3 C GLU A 1 -4.080 -9.854 -4.740 1.00 0.00 C ATOM 4 O GLU A 1 -3.557 -10.150 -5.813 1.00 0.00 O ATOM 5 CB GLU A 1 -2.782 -11.751 -3.736 1.00 0.00 C ATOM 6 CG GLU A 1 -1.581 -11.509 -2.835 1.00 0.00 C ATOM 7 CD GLU A 1 -1.620 -12.351 -1.575 1.00 0.00 C ATOM 8 OE1 GLU A 1 -2.726 -12.766 -1.171 1.00 0.00 O ATOM 9 OE2 GLU A 1 -0.543 -12.592 -0.989 1.00 0.00 O ATOM 0 H1 GLU A 1 -5.031 -12.107 -2.400 1.00 0.00 H new ATOM 0 H2 GLU A 1 -5.946 -10.838 -3.059 1.00 0.00 H new ATOM 0 H3 GLU A 1 -5.405 -12.102 -4.056 1.00 0.00 H new ATOM 0 HA GLU A 1 -3.693 -10.108 -2.666 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -3.157 -12.760 -3.565 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -2.462 -11.702 -4.777 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -0.667 -11.729 -3.387 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -1.543 -10.454 -2.562 1.00 0.00 H new ATOM 18 N LEU A 2 -4.810 -8.756 -4.568 1.00 0.00 N ATOM 19 CA LEU A 2 -5.042 -7.812 -5.655 1.00 0.00 C ATOM 20 C LEU A 2 -4.023 -6.678 -5.615 1.00 0.00 C ATOM 21 O LEU A 2 -3.838 -6.032 -4.583 1.00 0.00 O ATOM 22 CB LEU A 2 -6.460 -7.245 -5.569 1.00 0.00 C ATOM 23 CG LEU A 2 -7.540 -8.103 -6.229 1.00 0.00 C ATOM 24 CD1 LEU A 2 -8.894 -7.847 -5.585 1.00 0.00 C ATOM 25 CD2 LEU A 2 -7.598 -7.828 -7.723 1.00 0.00 C ATOM 0 H LEU A 2 -5.251 -8.498 -3.685 1.00 0.00 H new ATOM 0 HA LEU A 2 -4.928 -8.345 -6.599 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -6.717 -7.108 -4.519 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -6.469 -6.258 -6.031 1.00 0.00 H new ATOM 0 HG LEU A 2 -7.284 -9.152 -6.082 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -9.650 -8.467 -6.068 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -8.845 -8.095 -4.525 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -9.159 -6.796 -5.700 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -8.372 -8.447 -8.177 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -7.830 -6.776 -7.891 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -6.634 -8.063 -8.174 1.00 0.00 H new ATOM 37 N PRO A 3 -3.346 -6.421 -6.744 1.00 0.00 N ATOM 38 CA PRO A 3 -2.339 -5.360 -6.842 1.00 0.00 C ATOM 39 C PRO A 3 -2.908 -3.994 -6.473 1.00 0.00 C ATOM 40 O PRO A 3 -3.475 -3.298 -7.314 1.00 0.00 O ATOM 41 CB PRO A 3 -1.922 -5.388 -8.315 1.00 0.00 C ATOM 42 CG PRO A 3 -2.293 -6.748 -8.796 1.00 0.00 C ATOM 43 CD PRO A 3 -3.511 -7.147 -8.013 1.00 0.00 C ATOM 0 HA PRO A 3 -1.509 -5.522 -6.154 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -2.436 -4.614 -8.885 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -0.853 -5.208 -8.426 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -2.502 -6.740 -9.866 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -1.478 -7.454 -8.636 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -4.430 -6.861 -8.524 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -3.555 -8.225 -7.858 1.00 0.00 H new ATOM 51 N LYS A 4 -2.758 -3.622 -5.206 1.00 0.00 N ATOM 52 CA LYS A 4 -3.263 -2.344 -4.719 1.00 0.00 C ATOM 53 C LYS A 4 -2.322 -1.199 -5.084 1.00 0.00 C ATOM 54 O LYS A 4 -1.125 -1.400 -5.280 1.00 0.00 O ATOM 55 CB LYS A 4 -3.452 -2.396 -3.202 1.00 0.00 C ATOM 56 CG LYS A 4 -2.149 -2.558 -2.435 1.00 0.00 C ATOM 57 CD LYS A 4 -1.932 -4.000 -2.004 1.00 0.00 C ATOM 58 CE LYS A 4 -0.455 -4.362 -1.987 1.00 0.00 C ATOM 59 NZ LYS A 4 -0.222 -5.771 -2.409 1.00 0.00 N ATOM 0 H LYS A 4 -2.291 -4.188 -4.498 1.00 0.00 H new ATOM 0 HA LYS A 4 -4.224 -2.160 -5.198 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -3.947 -1.482 -2.874 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -4.116 -3.224 -2.954 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -1.316 -2.234 -3.059 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -2.160 -1.912 -1.557 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -2.356 -4.152 -1.011 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -2.463 -4.667 -2.683 1.00 0.00 H new ATOM 0 HE2 LYS A 4 0.091 -3.690 -2.649 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -0.057 -4.213 -0.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 0.553 -6.178 -1.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -1.088 -6.327 -2.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 0.032 -5.794 -3.417 1.00 0.00 H new ATOM 73 N LEU A 5 -2.879 0.005 -5.156 1.00 0.00 N ATOM 74 CA LEU A 5 -2.109 1.198 -5.478 1.00 0.00 C ATOM 75 C LEU A 5 -2.929 2.463 -5.217 1.00 0.00 C ATOM 76 O LEU A 5 -3.046 3.326 -6.087 1.00 0.00 O ATOM 77 CB LEU A 5 -1.656 1.162 -6.940 1.00 0.00 C ATOM 78 CG LEU A 5 -2.456 0.222 -7.844 1.00 0.00 C ATOM 79 CD1 LEU A 5 -3.853 0.773 -8.078 1.00 0.00 C ATOM 80 CD2 LEU A 5 -1.734 0.014 -9.167 1.00 0.00 C ATOM 0 H LEU A 5 -3.871 0.180 -4.994 1.00 0.00 H new ATOM 0 HA LEU A 5 -1.230 1.216 -4.834 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.716 2.171 -7.348 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -0.607 0.867 -6.972 1.00 0.00 H new ATOM 0 HG LEU A 5 -2.546 -0.744 -7.347 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -4.409 0.093 -8.723 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -4.370 0.872 -7.123 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -3.783 1.750 -8.556 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -2.317 -0.657 -9.798 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.614 0.973 -9.671 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -0.753 -0.423 -8.981 1.00 0.00 H new ATOM 92 N PRO A 6 -3.509 2.593 -4.006 1.00 0.00 N ATOM 93 CA PRO A 6 -4.312 3.737 -3.615 1.00 0.00 C ATOM 94 C PRO A 6 -3.516 4.717 -2.761 1.00 0.00 C ATOM 95 O PRO A 6 -2.301 4.578 -2.616 1.00 0.00 O ATOM 96 CB PRO A 6 -5.406 3.073 -2.781 1.00 0.00 C ATOM 97 CG PRO A 6 -4.762 1.851 -2.185 1.00 0.00 C ATOM 98 CD PRO A 6 -3.439 1.644 -2.895 1.00 0.00 C ATOM 0 HA PRO A 6 -4.675 4.323 -4.460 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -5.771 3.745 -2.004 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -6.263 2.805 -3.398 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -4.606 1.983 -1.114 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -5.405 0.979 -2.309 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -2.593 1.851 -2.240 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -3.326 0.619 -3.247 1.00 0.00 H new ATOM 106 N ASP A 7 -4.199 5.701 -2.188 1.00 0.00 N ATOM 107 CA ASP A 7 -3.533 6.683 -1.344 1.00 0.00 C ATOM 108 C ASP A 7 -4.516 7.727 -0.824 1.00 0.00 C ATOM 109 O ASP A 7 -4.463 8.118 0.343 1.00 0.00 O ATOM 110 CB ASP A 7 -2.401 7.360 -2.115 1.00 0.00 C ATOM 111 CG ASP A 7 -2.642 7.365 -3.612 1.00 0.00 C ATOM 112 OD1 ASP A 7 -3.814 7.245 -4.025 1.00 0.00 O ATOM 113 OD2 ASP A 7 -1.658 7.489 -4.371 1.00 0.00 O ATOM 0 H ASP A 7 -5.204 5.839 -2.291 1.00 0.00 H new ATOM 0 HA ASP A 7 -3.116 6.159 -0.484 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -2.289 8.386 -1.764 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -1.463 6.847 -1.903 1.00 0.00 H new ATOM 118 N ASP A 8 -5.407 8.176 -1.696 1.00 0.00 N ATOM 119 CA ASP A 8 -6.401 9.178 -1.326 1.00 0.00 C ATOM 120 C ASP A 8 -7.806 8.705 -1.681 1.00 0.00 C ATOM 121 O ASP A 8 -8.589 9.444 -2.276 1.00 0.00 O ATOM 122 CB ASP A 8 -6.101 10.502 -2.029 1.00 0.00 C ATOM 123 CG ASP A 8 -5.748 10.314 -3.491 1.00 0.00 C ATOM 124 OD1 ASP A 8 -5.940 9.194 -4.009 1.00 0.00 O ATOM 125 OD2 ASP A 8 -5.279 11.287 -4.120 1.00 0.00 O ATOM 0 H ASP A 8 -5.464 7.863 -2.665 1.00 0.00 H new ATOM 0 HA ASP A 8 -6.351 9.327 -0.247 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -6.968 11.157 -1.949 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.276 11.001 -1.520 1.00 0.00 H new ATOM 130 N LYS A 9 -8.119 7.468 -1.310 1.00 0.00 N ATOM 131 CA LYS A 9 -9.428 6.896 -1.588 1.00 0.00 C ATOM 132 C LYS A 9 -9.940 6.112 -0.387 1.00 0.00 C ATOM 133 O LYS A 9 -10.986 6.432 0.180 1.00 0.00 O ATOM 134 CB LYS A 9 -9.358 5.984 -2.814 1.00 0.00 C ATOM 135 CG LYS A 9 -8.302 6.402 -3.826 1.00 0.00 C ATOM 136 CD LYS A 9 -8.851 7.416 -4.816 1.00 0.00 C ATOM 137 CE LYS A 9 -9.418 6.736 -6.053 1.00 0.00 C ATOM 138 NZ LYS A 9 -8.375 6.511 -7.092 1.00 0.00 N ATOM 0 H LYS A 9 -7.482 6.843 -0.816 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.121 7.713 -1.791 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.152 4.965 -2.487 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -10.332 5.971 -3.303 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.445 6.828 -3.304 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -7.944 5.524 -4.364 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -9.629 8.010 -4.337 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.059 8.106 -5.109 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -9.861 5.781 -5.771 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -10.218 7.348 -6.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -8.803 6.046 -7.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.970 7.424 -7.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.624 5.906 -6.704 1.00 0.00 H new ATOM 152 N VAL A 10 -9.197 5.082 -0.011 1.00 0.00 N ATOM 153 CA VAL A 10 -9.568 4.241 1.119 1.00 0.00 C ATOM 154 C VAL A 10 -8.342 3.819 1.925 1.00 0.00 C ATOM 155 O VAL A 10 -8.405 3.702 3.150 1.00 0.00 O ATOM 156 CB VAL A 10 -10.318 2.985 0.647 1.00 0.00 C ATOM 157 CG1 VAL A 10 -10.469 1.996 1.788 1.00 0.00 C ATOM 158 CG2 VAL A 10 -11.675 3.361 0.069 1.00 0.00 C ATOM 0 H VAL A 10 -8.330 4.807 -0.473 1.00 0.00 H new ATOM 0 HA VAL A 10 -10.223 4.834 1.757 1.00 0.00 H new ATOM 0 HB VAL A 10 -9.735 2.507 -0.140 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -11.002 1.113 1.436 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.483 1.704 2.150 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -11.030 2.459 2.599 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -12.193 2.460 -0.260 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -12.270 3.862 0.833 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -11.536 4.030 -0.780 1.00 0.00 H new ATOM 168 N LEU A 11 -7.231 3.587 1.230 1.00 0.00 N ATOM 169 CA LEU A 11 -5.987 3.177 1.873 1.00 0.00 C ATOM 170 C LEU A 11 -6.252 2.300 3.093 1.00 0.00 C ATOM 171 O LEU A 11 -5.854 2.641 4.207 1.00 0.00 O ATOM 172 CB LEU A 11 -5.162 4.403 2.279 1.00 0.00 C ATOM 173 CG LEU A 11 -5.936 5.507 3.002 1.00 0.00 C ATOM 174 CD1 LEU A 11 -5.241 5.884 4.302 1.00 0.00 C ATOM 175 CD2 LEU A 11 -6.085 6.726 2.105 1.00 0.00 C ATOM 0 H LEU A 11 -7.168 3.677 0.216 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.421 2.590 1.150 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.346 4.074 2.923 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.709 4.828 1.383 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.930 5.130 3.241 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.806 6.671 4.802 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.184 5.010 4.951 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.234 6.242 4.086 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.638 7.502 2.634 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -5.098 7.103 1.836 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.626 6.448 1.200 1.00 0.00 H new ATOM 187 N ILE A 12 -6.916 1.166 2.881 1.00 0.00 N ATOM 188 CA ILE A 12 -7.212 0.253 3.979 1.00 0.00 C ATOM 189 C ILE A 12 -5.942 -0.402 4.492 1.00 0.00 C ATOM 190 O ILE A 12 -5.383 -1.288 3.846 1.00 0.00 O ATOM 191 CB ILE A 12 -8.194 -0.873 3.586 1.00 0.00 C ATOM 192 CG1 ILE A 12 -8.047 -1.261 2.117 1.00 0.00 C ATOM 193 CG2 ILE A 12 -9.623 -0.473 3.891 1.00 0.00 C ATOM 194 CD1 ILE A 12 -7.940 -2.753 1.906 1.00 0.00 C ATOM 0 H ILE A 12 -7.256 0.861 1.969 1.00 0.00 H new ATOM 0 HA ILE A 12 -7.677 0.868 4.750 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.944 -1.748 4.186 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -8.904 -0.882 1.560 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -7.160 -0.778 1.707 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -10.296 -1.282 3.606 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.726 -0.275 4.958 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -9.877 0.426 3.329 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -7.838 -2.964 0.841 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -7.067 -3.134 2.437 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -8.838 -3.240 2.287 1.00 0.00 H new ATOM 206 N ARG A 13 -5.498 0.025 5.663 1.00 0.00 N ATOM 207 CA ARG A 13 -4.302 -0.538 6.266 1.00 0.00 C ATOM 208 C ARG A 13 -4.460 -2.044 6.422 1.00 0.00 C ATOM 209 O ARG A 13 -3.477 -2.770 6.573 1.00 0.00 O ATOM 210 CB ARG A 13 -4.039 0.107 7.625 1.00 0.00 C ATOM 211 CG ARG A 13 -2.861 1.066 7.622 1.00 0.00 C ATOM 212 CD ARG A 13 -2.308 1.275 9.021 1.00 0.00 C ATOM 213 NE ARG A 13 -2.445 2.661 9.458 1.00 0.00 N ATOM 214 CZ ARG A 13 -3.546 3.152 10.017 1.00 0.00 C ATOM 215 NH1 ARG A 13 -4.602 2.372 10.202 1.00 0.00 N ATOM 216 NH2 ARG A 13 -3.595 4.424 10.388 1.00 0.00 N ATOM 0 H ARG A 13 -5.947 0.757 6.213 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.451 -0.336 5.615 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.933 0.643 7.943 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.858 -0.676 8.361 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -2.076 0.677 6.974 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.172 2.024 7.206 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.830 0.621 9.719 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.256 0.990 9.042 1.00 0.00 H new ATOM 0 HE ARG A 13 -1.651 3.288 9.327 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -4.570 1.394 9.915 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.446 2.750 10.631 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -2.786 5.029 10.245 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -4.442 4.798 10.817 1.00 0.00 H new ATOM 230 N SER A 14 -5.714 -2.497 6.378 1.00 0.00 N ATOM 231 CA SER A 14 -6.046 -3.912 6.505 1.00 0.00 C ATOM 232 C SER A 14 -4.898 -4.793 6.046 1.00 0.00 C ATOM 233 O SER A 14 -4.098 -5.265 6.855 1.00 0.00 O ATOM 234 CB SER A 14 -7.300 -4.231 5.689 1.00 0.00 C ATOM 235 OG SER A 14 -8.463 -4.177 6.496 1.00 0.00 O ATOM 0 H SER A 14 -6.525 -1.892 6.253 1.00 0.00 H new ATOM 0 HA SER A 14 -6.233 -4.119 7.559 1.00 0.00 H new ATOM 0 HB2 SER A 14 -7.392 -3.522 4.866 1.00 0.00 H new ATOM 0 HB3 SER A 14 -7.207 -5.223 5.247 1.00 0.00 H new ATOM 0 HG SER A 14 -9.250 -4.383 5.950 1.00 0.00 H new ATOM 241 N ARG A 15 -4.817 -5.003 4.744 1.00 0.00 N ATOM 242 CA ARG A 15 -3.756 -5.824 4.178 1.00 0.00 C ATOM 243 C ARG A 15 -3.855 -5.867 2.666 1.00 0.00 C ATOM 244 O ARG A 15 -3.540 -6.875 2.033 1.00 0.00 O ATOM 245 CB ARG A 15 -3.799 -7.242 4.760 1.00 0.00 C ATOM 246 CG ARG A 15 -4.764 -8.177 4.046 1.00 0.00 C ATOM 247 CD ARG A 15 -4.054 -9.421 3.535 1.00 0.00 C ATOM 248 NE ARG A 15 -3.754 -9.335 2.108 1.00 0.00 N ATOM 249 CZ ARG A 15 -2.774 -10.015 1.518 1.00 0.00 C ATOM 250 NH1 ARG A 15 -2.001 -10.822 2.234 1.00 0.00 N ATOM 251 NH2 ARG A 15 -2.564 -9.887 0.215 1.00 0.00 N ATOM 0 H ARG A 15 -5.469 -4.619 4.060 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.801 -5.372 4.444 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -2.798 -7.670 4.719 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.078 -7.183 5.812 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -5.564 -8.467 4.727 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -5.230 -7.653 3.211 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -3.128 -9.564 4.092 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -4.677 -10.296 3.722 1.00 0.00 H new ATOM 0 HE ARG A 15 -4.328 -8.719 1.532 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -2.158 -10.921 3.237 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -1.250 -11.343 1.781 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -3.154 -9.266 -0.338 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -1.812 -10.410 -0.234 1.00 0.00 H new ATOM 265 N SER A 16 -4.296 -4.760 2.095 1.00 0.00 N ATOM 266 CA SER A 16 -4.441 -4.659 0.646 1.00 0.00 C ATOM 267 C SER A 16 -4.594 -3.212 0.195 1.00 0.00 C ATOM 268 O SER A 16 -5.510 -2.885 -0.560 1.00 0.00 O ATOM 269 CB SER A 16 -5.648 -5.474 0.178 1.00 0.00 C ATOM 270 OG SER A 16 -5.766 -6.681 0.914 1.00 0.00 O ATOM 0 H SER A 16 -4.560 -3.918 2.607 1.00 0.00 H new ATOM 0 HA SER A 16 -3.532 -5.059 0.197 1.00 0.00 H new ATOM 0 HB2 SER A 16 -6.557 -4.883 0.294 1.00 0.00 H new ATOM 0 HB3 SER A 16 -5.548 -5.700 -0.884 1.00 0.00 H new ATOM 0 HG SER A 16 -4.906 -7.151 0.911 1.00 0.00 H new ATOM 276 N ASN A 17 -3.697 -2.345 0.653 1.00 0.00 N ATOM 277 CA ASN A 17 -3.753 -0.942 0.282 1.00 0.00 C ATOM 278 C ASN A 17 -2.467 -0.210 0.647 1.00 0.00 C ATOM 279 O ASN A 17 -1.684 -0.675 1.476 1.00 0.00 O ATOM 280 CB ASN A 17 -4.932 -0.276 0.971 1.00 0.00 C ATOM 281 CG ASN A 17 -5.995 0.180 -0.011 1.00 0.00 C ATOM 282 OD1 ASN A 17 -6.626 1.219 0.175 1.00 0.00 O ATOM 283 ND2 ASN A 17 -6.201 -0.602 -1.064 1.00 0.00 N ATOM 0 H ASN A 17 -2.929 -2.590 1.277 1.00 0.00 H new ATOM 0 HA ASN A 17 -3.874 -0.888 -0.800 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -5.374 -0.973 1.683 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -4.578 0.582 1.543 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -6.905 -0.349 -1.757 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -5.655 -1.456 -1.180 1.00 0.00 H new ATOM 290 N CYS A 18 -2.277 0.949 0.026 1.00 0.00 N ATOM 291 CA CYS A 18 -1.105 1.784 0.268 1.00 0.00 C ATOM 292 C CYS A 18 -1.538 3.207 0.619 1.00 0.00 C ATOM 293 O CYS A 18 -2.354 3.808 -0.079 1.00 0.00 O ATOM 294 CB CYS A 18 -0.191 1.801 -0.966 1.00 0.00 C ATOM 295 SG CYS A 18 -0.547 0.498 -2.192 1.00 0.00 S ATOM 0 H CYS A 18 -2.928 1.336 -0.657 1.00 0.00 H new ATOM 0 HA CYS A 18 -0.548 1.365 1.106 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.277 2.773 -1.452 1.00 0.00 H new ATOM 0 HB3 CYS A 18 0.843 1.700 -0.637 1.00 0.00 H new ATOM 300 N PRO A 19 -0.998 3.757 1.716 1.00 0.00 N ATOM 301 CA PRO A 19 -1.328 5.109 2.177 1.00 0.00 C ATOM 302 C PRO A 19 -0.989 6.176 1.142 1.00 0.00 C ATOM 303 O PRO A 19 -0.645 5.865 0.003 1.00 0.00 O ATOM 304 CB PRO A 19 -0.456 5.286 3.428 1.00 0.00 C ATOM 305 CG PRO A 19 0.615 4.261 3.296 1.00 0.00 C ATOM 306 CD PRO A 19 -0.028 3.103 2.598 1.00 0.00 C ATOM 0 HA PRO A 19 -2.396 5.222 2.365 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -0.037 6.291 3.479 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.036 5.136 4.339 1.00 0.00 H new ATOM 0 HG2 PRO A 19 1.459 4.646 2.723 1.00 0.00 H new ATOM 0 HG3 PRO A 19 1.000 3.967 4.272 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.698 2.515 2.036 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.512 2.425 3.301 1.00 0.00 H new ATOM 314 N LYS A 20 -1.080 7.436 1.551 1.00 0.00 N ATOM 315 CA LYS A 20 -0.772 8.553 0.668 1.00 0.00 C ATOM 316 C LYS A 20 0.715 8.568 0.341 1.00 0.00 C ATOM 317 O LYS A 20 1.540 8.267 1.204 1.00 0.00 O ATOM 318 CB LYS A 20 -1.166 9.866 1.333 1.00 0.00 C ATOM 319 CG LYS A 20 -0.555 10.030 2.710 1.00 0.00 C ATOM 320 CD LYS A 20 -0.974 11.341 3.357 1.00 0.00 C ATOM 321 CE LYS A 20 0.143 11.926 4.206 1.00 0.00 C ATOM 322 NZ LYS A 20 1.469 11.806 3.539 1.00 0.00 N ATOM 0 H LYS A 20 -1.365 7.709 2.491 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.338 8.436 -0.256 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.854 10.697 0.700 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.252 9.916 1.413 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.858 9.197 3.345 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.532 9.993 2.633 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.257 12.055 2.584 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.855 11.177 3.977 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.067 12.976 4.409 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.173 11.415 5.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.091 12.575 3.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.898 10.890 3.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.346 11.869 2.508 1.00 0.00 H new ATOM 336 N GLY A 21 1.054 8.913 -0.904 1.00 0.00 N ATOM 337 CA GLY A 21 2.452 8.944 -1.315 1.00 0.00 C ATOM 338 C GLY A 21 3.266 7.902 -0.579 1.00 0.00 C ATOM 339 O GLY A 21 3.957 8.216 0.390 1.00 0.00 O ATOM 0 H GLY A 21 0.388 9.171 -1.632 1.00 0.00 H new ATOM 0 HA2 GLY A 21 2.521 8.770 -2.389 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.867 9.934 -1.125 1.00 0.00 H new ATOM 343 N LYS A 22 3.150 6.651 -1.008 1.00 0.00 N ATOM 344 CA LYS A 22 3.841 5.560 -0.350 1.00 0.00 C ATOM 345 C LYS A 22 4.481 4.603 -1.350 1.00 0.00 C ATOM 346 O LYS A 22 4.679 4.945 -2.517 1.00 0.00 O ATOM 347 CB LYS A 22 2.858 4.830 0.568 1.00 0.00 C ATOM 348 CG LYS A 22 1.913 3.889 -0.147 1.00 0.00 C ATOM 349 CD LYS A 22 1.183 4.600 -1.263 1.00 0.00 C ATOM 350 CE LYS A 22 1.816 4.315 -2.615 1.00 0.00 C ATOM 351 NZ LYS A 22 2.316 2.918 -2.716 1.00 0.00 N ATOM 0 H LYS A 22 2.583 6.372 -1.809 1.00 0.00 H new ATOM 0 HA LYS A 22 4.657 5.970 0.245 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.423 4.264 1.308 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.271 5.570 1.113 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.472 3.045 -0.552 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.192 3.483 0.563 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.140 4.285 -1.275 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.189 5.674 -1.077 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.084 4.495 -3.402 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.641 5.008 -2.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.843 2.801 -3.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.943 2.715 -1.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.511 2.259 -2.702 1.00 0.00 H new ATOM 365 N VAL A 23 4.831 3.412 -0.880 1.00 0.00 N ATOM 366 CA VAL A 23 5.476 2.417 -1.731 1.00 0.00 C ATOM 367 C VAL A 23 5.431 1.016 -1.131 1.00 0.00 C ATOM 368 O VAL A 23 5.850 0.800 0.000 1.00 0.00 O ATOM 369 CB VAL A 23 6.938 2.782 -2.003 1.00 0.00 C ATOM 370 CG1 VAL A 23 7.134 3.043 -3.480 1.00 0.00 C ATOM 371 CG2 VAL A 23 7.369 3.986 -1.179 1.00 0.00 C ATOM 0 H VAL A 23 4.680 3.111 0.083 1.00 0.00 H new ATOM 0 HA VAL A 23 4.912 2.416 -2.664 1.00 0.00 H new ATOM 0 HB VAL A 23 7.565 1.942 -1.705 1.00 0.00 H new ATOM 0 HG11 VAL A 23 8.176 3.302 -3.669 1.00 0.00 H new ATOM 0 HG12 VAL A 23 6.875 2.148 -4.045 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.493 3.867 -3.792 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.412 4.220 -1.395 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.745 4.843 -1.433 1.00 0.00 H new ATOM 0 HG23 VAL A 23 7.260 3.759 -0.118 1.00 0.00 H new ATOM 381 N TRP A 24 4.945 0.054 -1.892 1.00 0.00 N ATOM 382 CA TRP A 24 4.870 -1.308 -1.410 1.00 0.00 C ATOM 383 C TRP A 24 6.250 -1.910 -1.230 1.00 0.00 C ATOM 384 O TRP A 24 7.258 -1.368 -1.683 1.00 0.00 O ATOM 385 CB TRP A 24 4.030 -2.135 -2.369 1.00 0.00 C ATOM 386 CG TRP A 24 4.298 -3.612 -2.381 1.00 0.00 C ATOM 387 CD1 TRP A 24 5.219 -4.280 -3.131 1.00 0.00 C ATOM 388 CD2 TRP A 24 3.601 -4.603 -1.633 1.00 0.00 C ATOM 389 NE1 TRP A 24 5.121 -5.631 -2.909 1.00 0.00 N ATOM 390 CE2 TRP A 24 4.134 -5.855 -1.990 1.00 0.00 C ATOM 391 CE3 TRP A 24 2.577 -4.552 -0.700 1.00 0.00 C ATOM 392 CZ2 TRP A 24 3.668 -7.045 -1.444 1.00 0.00 C ATOM 393 CZ3 TRP A 24 2.118 -5.732 -0.150 1.00 0.00 C ATOM 394 CH2 TRP A 24 2.661 -6.964 -0.525 1.00 0.00 C ATOM 0 H TRP A 24 4.598 0.191 -2.841 1.00 0.00 H new ATOM 0 HA TRP A 24 4.395 -1.308 -0.429 1.00 0.00 H new ATOM 0 HB2 TRP A 24 2.979 -1.980 -2.125 1.00 0.00 H new ATOM 0 HB3 TRP A 24 4.183 -1.751 -3.377 1.00 0.00 H new ATOM 0 HD1 TRP A 24 5.924 -3.814 -3.803 1.00 0.00 H new ATOM 0 HE1 TRP A 24 5.691 -6.349 -3.356 1.00 0.00 H new ATOM 0 HE3 TRP A 24 2.146 -3.606 -0.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 4.086 -7.997 -1.735 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 1.325 -5.703 0.583 1.00 0.00 H new ATOM 0 HH2 TRP A 24 2.277 -7.870 -0.079 1.00 0.00 H new ATOM 405 N ASN A 25 6.267 -3.025 -0.536 1.00 0.00 N ATOM 406 CA ASN A 25 7.494 -3.745 -0.230 1.00 0.00 C ATOM 407 C ASN A 25 7.241 -5.242 -0.288 1.00 0.00 C ATOM 408 O ASN A 25 6.134 -5.671 -0.568 1.00 0.00 O ATOM 409 CB ASN A 25 7.999 -3.349 1.163 1.00 0.00 C ATOM 410 CG ASN A 25 9.469 -3.659 1.363 1.00 0.00 C ATOM 411 OD1 ASN A 25 10.335 -3.051 0.735 1.00 0.00 O ATOM 412 ND2 ASN A 25 9.757 -4.610 2.244 1.00 0.00 N ATOM 0 H ASN A 25 5.426 -3.466 -0.163 1.00 0.00 H new ATOM 0 HA ASN A 25 8.254 -3.486 -0.967 1.00 0.00 H new ATOM 0 HB2 ASN A 25 7.833 -2.283 1.315 1.00 0.00 H new ATOM 0 HB3 ASN A 25 7.415 -3.874 1.919 1.00 0.00 H new ATOM 0 HD21 ASN A 25 10.729 -4.862 2.423 1.00 0.00 H new ATOM 0 HD22 ASN A 25 9.006 -5.088 2.742 1.00 0.00 H new ATOM 419 N GLY A 26 8.271 -6.028 -0.030 1.00 0.00 N ATOM 420 CA GLY A 26 8.136 -7.471 -0.072 1.00 0.00 C ATOM 421 C GLY A 26 6.745 -7.984 0.288 1.00 0.00 C ATOM 422 O GLY A 26 6.313 -9.005 -0.247 1.00 0.00 O ATOM 0 H GLY A 26 9.204 -5.693 0.209 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.390 -7.819 -1.073 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.861 -7.912 0.612 1.00 0.00 H new ATOM 426 N PHE A 27 6.041 -7.306 1.200 1.00 0.00 N ATOM 427 CA PHE A 27 4.721 -7.755 1.599 1.00 0.00 C ATOM 428 C PHE A 27 3.919 -6.659 2.301 1.00 0.00 C ATOM 429 O PHE A 27 3.282 -6.922 3.318 1.00 0.00 O ATOM 430 CB PHE A 27 4.858 -8.957 2.524 1.00 0.00 C ATOM 431 CG PHE A 27 6.071 -8.893 3.409 1.00 0.00 C ATOM 432 CD1 PHE A 27 6.600 -7.671 3.792 1.00 0.00 C ATOM 433 CD2 PHE A 27 6.682 -10.054 3.855 1.00 0.00 C ATOM 434 CE1 PHE A 27 7.716 -7.608 4.605 1.00 0.00 C ATOM 435 CE2 PHE A 27 7.799 -9.997 4.668 1.00 0.00 C ATOM 436 CZ PHE A 27 8.317 -8.773 5.043 1.00 0.00 C ATOM 0 H PHE A 27 6.364 -6.458 1.665 1.00 0.00 H new ATOM 0 HA PHE A 27 4.177 -8.026 0.694 1.00 0.00 H new ATOM 0 HB2 PHE A 27 3.966 -9.031 3.147 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.903 -9.865 1.923 1.00 0.00 H new ATOM 0 HD1 PHE A 27 6.135 -6.758 3.451 1.00 0.00 H new ATOM 0 HD2 PHE A 27 6.281 -11.014 3.564 1.00 0.00 H new ATOM 0 HE1 PHE A 27 8.118 -6.649 4.898 1.00 0.00 H new ATOM 0 HE2 PHE A 27 8.266 -10.909 5.009 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.190 -8.726 5.677 1.00 0.00 H new ATOM 446 N ASP A 28 3.944 -5.435 1.772 1.00 0.00 N ATOM 447 CA ASP A 28 3.194 -4.341 2.404 1.00 0.00 C ATOM 448 C ASP A 28 3.182 -3.078 1.557 1.00 0.00 C ATOM 449 O ASP A 28 4.159 -2.768 0.892 1.00 0.00 O ATOM 450 CB ASP A 28 3.793 -4.006 3.759 1.00 0.00 C ATOM 451 CG ASP A 28 3.253 -4.881 4.873 1.00 0.00 C ATOM 452 OD1 ASP A 28 2.147 -5.438 4.709 1.00 0.00 O ATOM 453 OD2 ASP A 28 3.936 -5.008 5.912 1.00 0.00 O ATOM 0 H ASP A 28 4.459 -5.177 0.931 1.00 0.00 H new ATOM 0 HA ASP A 28 2.168 -4.692 2.513 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.876 -4.116 3.709 1.00 0.00 H new ATOM 0 HB3 ASP A 28 3.589 -2.961 3.993 1.00 0.00 H new ATOM 458 N CYS A 29 2.069 -2.349 1.594 1.00 0.00 N ATOM 459 CA CYS A 29 1.930 -1.111 0.829 1.00 0.00 C ATOM 460 C CYS A 29 1.999 0.109 1.744 1.00 0.00 C ATOM 461 O CYS A 29 0.997 0.493 2.339 1.00 0.00 O ATOM 462 CB CYS A 29 0.601 -1.101 0.088 1.00 0.00 C ATOM 463 SG CYS A 29 0.749 -0.986 -1.719 1.00 0.00 S ATOM 0 H CYS A 29 1.248 -2.595 2.147 1.00 0.00 H new ATOM 0 HA CYS A 29 2.753 -1.065 0.116 1.00 0.00 H new ATOM 0 HB2 CYS A 29 0.053 -2.009 0.338 1.00 0.00 H new ATOM 0 HB3 CYS A 29 0.006 -0.261 0.446 1.00 0.00 H new ATOM 468 N LYS A 30 3.175 0.729 1.840 1.00 0.00 N ATOM 469 CA LYS A 30 3.337 1.917 2.688 1.00 0.00 C ATOM 470 C LYS A 30 4.583 2.705 2.327 1.00 0.00 C ATOM 471 O LYS A 30 5.418 2.269 1.552 1.00 0.00 O ATOM 472 CB LYS A 30 3.397 1.576 4.183 1.00 0.00 C ATOM 473 CG LYS A 30 2.770 0.254 4.567 1.00 0.00 C ATOM 474 CD LYS A 30 1.285 0.398 4.868 1.00 0.00 C ATOM 475 CE LYS A 30 0.530 -0.880 4.537 1.00 0.00 C ATOM 476 NZ LYS A 30 -0.946 -0.688 4.594 1.00 0.00 N ATOM 0 H LYS A 30 4.020 0.436 1.350 1.00 0.00 H new ATOM 0 HA LYS A 30 2.450 2.523 2.500 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.441 1.570 4.496 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.902 2.371 4.741 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.909 -0.463 3.758 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.280 -0.150 5.441 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.147 0.643 5.921 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.873 1.226 4.292 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.813 -1.220 3.541 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.821 -1.664 5.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.377 -1.466 5.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -1.161 0.217 5.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.333 -0.681 3.629 1.00 0.00 H new ATOM 490 N SER A 31 4.682 3.886 2.904 1.00 0.00 N ATOM 491 CA SER A 31 5.812 4.771 2.651 1.00 0.00 C ATOM 492 C SER A 31 7.131 4.070 2.949 1.00 0.00 C ATOM 493 O SER A 31 7.159 3.032 3.608 1.00 0.00 O ATOM 494 CB SER A 31 5.694 6.037 3.501 1.00 0.00 C ATOM 495 OG SER A 31 4.382 6.568 3.450 1.00 0.00 O ATOM 0 H SER A 31 3.992 4.260 3.555 1.00 0.00 H new ATOM 0 HA SER A 31 5.797 5.044 1.596 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.957 5.810 4.534 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.405 6.783 3.147 1.00 0.00 H new ATOM 0 HG SER A 31 4.334 7.375 4.003 1.00 0.00 H new ATOM 501 N PRO A 32 8.247 4.633 2.462 1.00 0.00 N ATOM 502 CA PRO A 32 9.578 4.067 2.673 1.00 0.00 C ATOM 503 C PRO A 32 10.071 4.271 4.093 1.00 0.00 C ATOM 504 O PRO A 32 11.038 3.642 4.524 1.00 0.00 O ATOM 505 CB PRO A 32 10.474 4.825 1.680 1.00 0.00 C ATOM 506 CG PRO A 32 9.561 5.691 0.870 1.00 0.00 C ATOM 507 CD PRO A 32 8.301 5.864 1.670 1.00 0.00 C ATOM 0 HA PRO A 32 9.581 2.988 2.518 1.00 0.00 H new ATOM 0 HB2 PRO A 32 11.216 5.426 2.206 1.00 0.00 H new ATOM 0 HB3 PRO A 32 11.021 4.131 1.041 1.00 0.00 H new ATOM 0 HG2 PRO A 32 10.024 6.656 0.666 1.00 0.00 H new ATOM 0 HG3 PRO A 32 9.346 5.230 -0.094 1.00 0.00 H new ATOM 0 HD2 PRO A 32 8.342 6.750 2.303 1.00 0.00 H new ATOM 0 HD3 PRO A 32 7.426 5.971 1.029 1.00 0.00 H new ATOM 515 N PHE A 33 9.399 5.146 4.821 1.00 0.00 N ATOM 516 CA PHE A 33 9.765 5.423 6.197 1.00 0.00 C ATOM 517 C PHE A 33 9.487 4.210 7.076 1.00 0.00 C ATOM 518 O PHE A 33 10.040 4.078 8.167 1.00 0.00 O ATOM 519 CB PHE A 33 8.986 6.626 6.713 1.00 0.00 C ATOM 520 CG PHE A 33 8.621 7.614 5.642 1.00 0.00 C ATOM 521 CD1 PHE A 33 9.465 7.836 4.566 1.00 0.00 C ATOM 522 CD2 PHE A 33 7.431 8.320 5.712 1.00 0.00 C ATOM 523 CE1 PHE A 33 9.129 8.744 3.580 1.00 0.00 C ATOM 524 CE2 PHE A 33 7.089 9.229 4.730 1.00 0.00 C ATOM 525 CZ PHE A 33 7.939 9.442 3.662 1.00 0.00 C ATOM 0 H PHE A 33 8.597 5.676 4.481 1.00 0.00 H new ATOM 0 HA PHE A 33 10.831 5.645 6.234 1.00 0.00 H new ATOM 0 HB2 PHE A 33 8.075 6.277 7.198 1.00 0.00 H new ATOM 0 HB3 PHE A 33 9.579 7.132 7.475 1.00 0.00 H new ATOM 0 HD1 PHE A 33 10.396 7.293 4.497 1.00 0.00 H new ATOM 0 HD2 PHE A 33 6.763 8.158 6.545 1.00 0.00 H new ATOM 0 HE1 PHE A 33 9.796 8.908 2.746 1.00 0.00 H new ATOM 0 HE2 PHE A 33 6.158 9.773 4.797 1.00 0.00 H new ATOM 0 HZ PHE A 33 7.674 10.152 2.893 1.00 0.00 H new ATOM 535 N ALA A 34 8.619 3.329 6.589 1.00 0.00 N ATOM 536 CA ALA A 34 8.257 2.126 7.325 1.00 0.00 C ATOM 537 C ALA A 34 8.825 0.881 6.658 1.00 0.00 C ATOM 538 O ALA A 34 8.159 -0.151 6.572 1.00 0.00 O ATOM 539 CB ALA A 34 6.746 2.020 7.440 1.00 0.00 C ATOM 0 H ALA A 34 8.154 3.427 5.687 1.00 0.00 H new ATOM 0 HA ALA A 34 8.686 2.197 8.324 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.486 1.117 7.992 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.359 2.892 7.967 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.308 1.975 6.443 1.00 0.00 H new ATOM 545 N PHE A 35 10.061 0.990 6.194 1.00 0.00 N ATOM 546 CA PHE A 35 10.737 -0.121 5.531 1.00 0.00 C ATOM 547 C PHE A 35 12.235 0.142 5.430 1.00 0.00 C ATOM 548 O PHE A 35 13.049 -0.769 5.582 1.00 0.00 O ATOM 549 CB PHE A 35 10.152 -0.346 4.135 1.00 0.00 C ATOM 550 CG PHE A 35 8.708 -0.757 4.148 1.00 0.00 C ATOM 551 CD1 PHE A 35 8.341 -2.024 4.571 1.00 0.00 C ATOM 552 CD2 PHE A 35 7.720 0.125 3.743 1.00 0.00 C ATOM 553 CE1 PHE A 35 7.013 -2.405 4.589 1.00 0.00 C ATOM 554 CE2 PHE A 35 6.390 -0.250 3.758 1.00 0.00 C ATOM 555 CZ PHE A 35 6.037 -1.517 4.182 1.00 0.00 C ATOM 0 H PHE A 35 10.621 1.840 6.264 1.00 0.00 H new ATOM 0 HA PHE A 35 10.580 -1.019 6.129 1.00 0.00 H new ATOM 0 HB2 PHE A 35 10.255 0.571 3.555 1.00 0.00 H new ATOM 0 HB3 PHE A 35 10.735 -1.113 3.625 1.00 0.00 H new ATOM 0 HD1 PHE A 35 9.101 -2.722 4.890 1.00 0.00 H new ATOM 0 HD2 PHE A 35 7.992 1.116 3.412 1.00 0.00 H new ATOM 0 HE1 PHE A 35 6.739 -3.396 4.921 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.628 0.446 3.439 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.998 -1.813 4.195 1.00 0.00 H new ATOM 565 N SER A 36 12.590 1.396 5.171 1.00 0.00 N ATOM 566 CA SER A 36 13.990 1.784 5.049 1.00 0.00 C ATOM 567 C SER A 36 14.138 3.302 5.099 1.00 0.00 C ATOM 568 O SER A 36 13.976 3.946 4.041 1.00 0.00 O ATOM 569 CB SER A 36 14.579 1.245 3.744 1.00 0.00 C ATOM 570 OG SER A 36 14.700 -0.167 3.786 1.00 0.00 O ATOM 571 OXT SER A 36 14.414 3.834 6.196 1.00 0.00 O ATOM 0 H SER A 36 11.928 2.161 5.042 1.00 0.00 H new ATOM 0 HA SER A 36 14.536 1.355 5.889 1.00 0.00 H new ATOM 0 HB2 SER A 36 13.943 1.534 2.907 1.00 0.00 H new ATOM 0 HB3 SER A 36 15.558 1.692 3.570 1.00 0.00 H new ATOM 0 HG SER A 36 14.419 -0.493 4.666 1.00 0.00 H new TER 577 SER A 36